Electronic structure and magnetic properties of SrFe1−Mn O2: A theoretical investigation

First-principles study of the electronic structure and magnetism of SrFe0.5Ru0.5O2

“…Because of insulating state under ambient condition and lacking of orbital degrees of freedom, SrFeO 2 and SrFe 1 À x M x O 2 (M ¼Mn, Co, Ru) were studied by using Heisenberg model [2,3,6,18]. The aforementioned NN and NNN exchange interactions can be estimated by mapping total energies of different spin configurations onto a classical Heisenberg modelH JSS…”